Text-to-audio generation models (TAG) have achieved significant advances in generating audio conditioned on text descriptions. However, a critical challenge lies in the lack of transparency regarding how each textual input impacts the generated audio. To address this issue, we introduce AudioGenX, an Explainable AI (XAI) method that provides explanations for text-to-audio generation models by highlighting the importance of input tokens. AudioGenX optimizes an Explainer by leveraging factual and counterfactual objective functions to provide faithful explanations at the audio token level. This method offers a detailed and comprehensive understanding of the relationship between text inputs and audio outputs, enhancing both the explainability and trustworthiness of TAG models. Extensive experiments demonstrate the effectiveness of AudioGenX in producing faithful explanations, benchmarked against existing methods using novel evaluation metrics specifically designed for audio generation tasks.

Beyond improving trust and validating model fairness, xAI practices also have the potential to recover valuable scientific insights in application domains where little to no prior human intuition exists. To that end, we propose a method to extract global concept explanations from the predictions of graph neural networks to develop a deeper understanding of the tasks underlying structure-property relationships. We identify concept explanations as dense clusters in the self-explaining Megan models subgraph latent space. For each concept, we optimize a representative prototype graph and optionally use GPT-4 to provide hypotheses about why each structure has a certain effect on the prediction. We conduct computational experiments on synthetic and real-world graph property prediction tasks. For the synthetic tasks we find that our method correctly reproduces the structural rules by which they were created. For real-world molecular property regression and classification tasks, we find that our method rediscovers established rules of thumb. More specifically, our results for molecular mutagenicity prediction indicate more fine-grained resolution of structural details than existing explainability methods, consistent with previous results from chemistry literature. Overall, our results show promising capability to extract the underlying structure-property relationships for complex graph property prediction tasks.

Artificial intelligence (AI) has immense potential in time series prediction, but most explainable tools have limited capabilities in providing a systematic understanding of important features over time. These tools typically rely on evaluating a single time point, overlook the time ordering of inputs, and neglect the time-sensitive nature of time series applications. These factors make it difficult for users, particularly those without domain knowledge, to comprehend AI model decisions and obtain meaningful explanations. We propose CGS-Mask, a post-hoc and model-agnostic cellular genetic strip mask-based saliency approach to address these challenges. CGS-Mask uses consecutive time steps as a cohesive entity to evaluate the impact of features on the final prediction, providing binary and sustained feature importance scores over time. Our algorithm optimizes the mask population iteratively to obtain the optimal mask in a reasonable time. We evaluated CGS-Mask on synthetic and real-world datasets, and it outperformed state-of-the-art methods in elucidating the importance of features over time. According to our pilot user study via a questionnaire survey, CGS-Mask is the most effective approach in presenting easily understandable time series prediction results, enabling users to comprehend the decision-making process of AI models with ease.

Subgraph-enhanced graph neural networks (SGNN) can increase the expressive power of the standard message-passing framework. This model family represents each graph as a collection of subgraphs, generally extracted by random sampling or with hand-crafted heuristics. Our key observation is that by selecting "meaningful" subgraphs, besides improving the expressivity of a GNN, it is also possible to obtain interpretable results. For this purpose, we introduce a novel framework that jointly predicts the class of the graph and a set of explanatory sparse subgraphs, which can be analyzed to understand the decision process of the classifier. We compare the performance of our framework against standard subgraph extraction policies, like random node/edge deletion strategies. The subgraphs produced by our framework allow to achieve comparable performance in terms of accuracy, with the additional benefit of providing explanations.

Human brains lie at the core of complex neurobiological systems, where the neurons, circuits, and subsystems interact in enigmatic ways. Understanding the structural and functional mechanisms of the brain has long been an intriguing pursuit for neuroscience research and clinical disorder therapy. Mapping the connections of the human brain as a network is one of the most pervasive paradigms in neuroscience. Graph Neural Networks (GNNs) have recently emerged as a potential method for modeling complex network data. Deep models, on the other hand, have low interpretability, which prevents their usage in decision-critical contexts like healthcare. To bridge this gap, we propose an interpretable framework to analyze disorder-specific Regions of Interest (ROIs) and prominent connections. The proposed framework consists of two modules: a brain-network-oriented backbone model for disease prediction and a globally shared explanation generator that highlights disorder-specific biomarkers including salient ROIs and important connections. We conduct experiments on three real-world datasets of brain disorders. The results verify that our framework can obtain outstanding performance and also identify meaningful biomarkers. All code for this work is available at https://github.com/HennyJie/IBGNN.git.

Neural network interpretability is a vital component for applications across a wide variety of domains. In such cases it is often useful to analyze a network which has already been trained for its specific purpose. In this work, we develop a method to produce explanation masks for pre-trained networks. Masks are created by a secondary network whose goal is to create as small an explanation as possible while still preserving the predictive accuracy of the original network. We demonstrate the applicability of our method for image classification with CNNs, sentiment analysis with RNNs, and chemical property prediction with mixed CNN/RNN architectures. 1 Introduction Network interpretability remains a required feature for machine learning systems in many domains.

Chemical databases store information in text representations, and the SMILES format is a universal standard used in many cheminformatics software. Encoded in each SMILES string is structural information that can be used to predict complex chemical properties. In this work, we develop SMILES2vec, a deep RNN that automatically learns features from SMILES to predict chemical properties, without the need for additional explicit feature engineering. Using Bayesian optimization methods to tune the network architecture, we show that an optimized SMILES2vec model can serve as a general-purpose neural network for predicting distinct chemical properties including toxicity, activity, solubility and solvation energy, while also outperforming contemporary MLP neural networks that uses engineered features. Furthermore, we demonstrate proof-of-concept of interpretability by developing an explanation mask that localizes on the most important characters used in making a prediction. When tested on the solubility dataset, it identified specific parts of a chemical that is consistent with established first-principles knowledge with an accuracy of 88%. Our work demonstrates that neural networks can learn technically accurate chemical concept and provide state-of-the-art accuracy, making interpretable deep neural networks a useful tool of relevance to the chemical industry.